SCHEMBL6675422

SCHEMBL6675422

COc1nc(C)c(C)cc1N=C(NO)N1CCN(c2ccc(C)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PHGDH O43175 1/20 0.38
GFER P55789 2/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
PIM1 P11309 1/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
AKR1C3 P42330 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6672088 0.92 HSD17B10 (0.43) CYP3A4CYP2C19LMNAHSD17B10POLB
SCHEMBL6674126 0.91 CYP3A4 (0.41) CYP3A4CYP2C19LMNAHSD17B10PHGDH
SCHEMBL6675972 0.90 PHGDH (0.38) CYP3A4CYP2C19LMNAHSD17B10PHGDH
SCHEMBL6672608 0.89 PHGDH (0.43) CYP3A4CYP2C19LMNAHSD17B10PHGDH
SCHEMBL6675116 0.88 LMNA (0.37) CYP3A4CYP2C19LMNAHSD17B10PHGDH
SCHEMBL6673384 0.87 GAA (0.39) CYP2C19LMNAHSD17B10GFERMAPT
SCHEMBL6675144 0.87 MAPT (0.39) CYP2C19LMNAHSD17B10GFERMAPT
SCHEMBL6677571 0.87 LMNA (0.36) CYP3A4CYP2C19LMNAHSD17B10PHGDH
SCHEMBL6672741 0.86 PDGFRB (0.36) CYP3A4CYP2C19LMNAHSD17B10PHGDH
SCHEMBL6898497 0.86 PHGDH (0.39) LMNAHSD17B10PHGDHMAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1424072-A1 N'-(pyridin-3-yl)-(4-phenylpiperazin-1-yl)-carboxyimidamide and -iminothiolate derivatives for the treatment of tumors Samjin Pharmaceutical Co., Ltd. (KR) 2004-06-02 EP disclosed
US-6683184-B2 ANTITUMOR AGENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2004-01-27 US disclosed
US-20030092910-A1 Piperazine derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2003-05-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030092910-A1 Piperazine derivatives and process for the preparation thereof CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS CYP3A4 339/4885CYP2C19 1186/4885LMNA 3343/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.